%chk=000022158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022158

0 1
 O   -3.631200     -0.3814000     -0.2435000    
 O   -2.194900       2.032200       1.314700    
 O   -1.982300      -1.581600      0.8308000    
 N  -7.7900000E-02  0.1404000      4.8400000E-02
 N   0.6620000     -5.0200000E-02 -0.9396000    
 C   -1.444800      0.4692000     -0.3566000    
 C    4.175800      0.3508000      0.1285000    
 C   -1.720100       1.853100      0.1931000    
 C    1.961300     -0.3609000     -0.5047000    
 C   -2.349900     -0.6202000      0.1680000    
 C    2.886000      0.6598000     -0.3036000    
 C    4.535200     -0.9775000      0.3574000    
 C    2.315200      -1.687700     -0.2778000    
 C    3.604900      -1.996600      0.1543000    
 C   -4.599200      -1.358500      0.1520000    
 C   -1.354000       3.019200     -0.6894000    
 C    5.170800       1.440300      0.3464000    
 C   -5.957000     -0.9504000     -0.3786000    
 H   -1.562000      0.4858000      -1.448900    
 H    2.601800       1.694300     -0.4818000    
 H    5.536400      -1.230900      0.6960000    
 H    1.596900      -2.488000     -0.4338000    
 H   -4.320000      -2.335600     -0.2576000    
 H   -4.631800      -1.418000       1.245600    
 H    3.884600      -3.030800      0.3330000    
 H   -1.911200       2.957900      -1.627400    
 H  -0.2794000       3.008800     -0.8865000    
 H   -1.612800       3.955900     -0.1879000    
 H    4.999400       2.274700     -0.3423000    
 H    5.101200       1.812500       1.373300    
 H    6.191900       1.085000      0.1707000    
 H   -6.722900      -1.677100     -9.3599997E-02
 H   -6.241800      3.3700000E-02  7.8999996E-03
 H   -5.935500     -0.8689000      -1.470400    


%chk=000022158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022158

0 1
O -3.741135 -0.509700 -0.668854
O -2.696164 1.250555 1.812309
O -2.432996 -2.014544 0.547447
N -0.214232 -0.249905 0.322662
N 0.741847 0.385356 -0.287400
C -1.561523 0.224619 -0.121456
C 4.473697 0.376119 -0.282369
C -1.982294 1.426896 0.800447
C 2.070505 -0.008567 0.105393
C -2.574905 -0.914419 -0.015957
C 3.117166 0.668717 -0.566411
C 4.750445 -0.610494 0.698082
C 2.358723 -0.999781 1.084433
C 3.703311 -1.291128 1.371665
C -4.897639 -1.456292 -0.588004
C -1.434005 2.771329 0.367089
C 5.593701 1.088372 -1.020601
C -6.077269 -0.769805 -1.267700
H -1.525620 0.611273 -1.158591
H 2.847934 1.423825 -1.314284
H 5.793298 -0.850398 0.938398
H 1.531812 -1.509544 1.588016
H -4.607458 -2.398152 -1.088030
H -5.087501 -1.673599 0.478277
H 3.948071 -2.048941 2.124107
H -1.503441 3.498688 1.190427
H -2.029808 3.142453 -0.489990
H -0.390778 2.673211 0.015394
H 5.687678 0.713181 -2.057684
H 5.409390 2.176012 -1.083322
H 6.566510 0.935828 -0.522714
H -6.963599 -1.429193 -1.231863
H -6.327291 0.176017 -0.757743
H -5.851730 -0.548689 -2.325077


